Geometry & MOs

Info

ID:	151533
PubChem CID:	53837766
Reduced:	N2O3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-49.72
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775359
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3,4,8b-tetrahydro-1H-biphenylen-4a-ol

Drug info:

PubChemData

Smile

CCOC(=C(CC1=CC=C(C=C1)O)[N+]#N)O

DOS

IR

Vibrations